(phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]acetic acid benzyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO4S/c1-16(19-11-7-4-8-12-19)20(15-28-17(2)24)22(26)23-13-21(25)27-14-18-9-5-3-6-10-18/h3-12,16,20H,13-15H2,1-2H3,(H,23,26)